HRID102584

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7953

2,4,6-Trimethylpyridine

C8H11N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：Cc1c(CO)sc2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cn(CC(N)=O)c12

HCID22574368

未命名化合物

PRODUCTS

生成物

结构：Cc1c(CCl)sc2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cn(CC(N)=O)c12

HCID22574317

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-485afa5fbc274460a5171c21e0388f40
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:38][S:39]([Cl:40])(=[O:41])=[O:42].[CH3:44][N:45]([c:46]1[cH:47][cH:48][n:49][cH:50][cH:51]1)[CH3:52].[NH2:1][C:2]([CH2:3][n:4]1[c:5]2[c:6]([c:7](=[O:21])[c:8]([C:10](=[O:11])[NH:12][CH2:13][c:14]3[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]3)[cH:9]1)[s:22][c:23]([CH2:26][OH:27])[c:24]2[CH3:25])=[O:28].[O:53]=[CH:54][N:55]([CH3:56])[CH3:57].[OH2:43].[n:29]1[c:30]([CH3:31])[cH:32][c:33]([CH3:34])[cH:35][c:36]1[CH3:37]>>[NH2:1][C:2]([CH2:3][n:4]1[c:5]2[c:6]([c:7](=[O:21])[c:8]([C:10](=[O:11])[NH:12][CH2:13][c:14]3[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]3)[cH:9]1)[s:22][c:23]([CH2:26][Cl:40])[c:24]2[CH3:25])=[O:28]